Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7006215
Preview
| Coordinates | 7006215.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [(PaPy2Q)FeNO](ClO4)2 |
|---|---|
| Formula | C26 H25 Cl2 Fe N7 O10 |
| Calculated formula | C26 H25 Cl2 Fe N7 O10 |
| SMILES | [Fe]1234([n]5c6ccccc6ccc5C(=O)N1CC[N]2(Cc1[n]3cccc1)Cc1[n]4cccc1)N=O.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].N#CC |
| Title of publication | Formation of a triply bridged µ-oxo diiron(iii) core stabilized by two deprotonated carboxamide groups upon photorelease of NO from a {Fe‒NO}6 iron nitrosyl |
| Authors of publication | Eroy-Reveles, Aura A.; Hoffman-Luca, C. Gianna; Mascharak, Pradip K. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2007 |
| Journal issue | 45 |
| Pages of publication | 5268 |
| a | 7.6291 ± 0.0006 Å |
| b | 12.4527 ± 0.001 Å |
| c | 15.9134 ± 0.0013 Å |
| α | 73.02 ± 0.001° |
| β | 84.921 ± 0.001° |
| γ | 81.796 ± 0.001° |
| Cell volume | 1429.4 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0369 |
| Residual factor for significantly intense reflections | 0.0304 |
| Weighted residual factors for significantly intense reflections | 0.0756 |
| Weighted residual factors for all reflections included in the refinement | 0.0794 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179766 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/62. |
7006215.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7006215.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7006215.cif |
| 1186 | 2010-06-03 | Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing. | 7006215.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.